4-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxan-4-amine

C13H19N5OS — CID 114355608

IUPAC4-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxan-4-amine
SMILESNC1(c2nn3c(C4CCCC4)nnc3s2)CCOCC1
InChIInChI=1S/C13H19N5OS/c14-13(5-7-19-8-6-13)11-17-18-10(9-3-1-2-4-9)15-16-12(18)20-11/h9H,1-8,14H2
InChIKeyTZRLCLYOZSOMOC-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.81
Rot. Bonds2

About 4-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxan-4-amine

4-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxan-4-amine (PubChem CID 114355608) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 4-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxan-4-amine.

Molecular Properties

Compound Name4-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxan-4-amine
PubChem CID114355608
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name4-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxan-4-amine
SMILESNC1(c2nn3c(C4CCCC4)nnc3s2)CCOCC1
InChIInChI=1S/C13H19N5OS/c14-13(5-7-19-8-6-13)11-17-18-10(9-3-1-2-4-9)15-16-12(18)20-11/h9H,1-8,14H2
InChIKeyTZRLCLYOZSOMOC-UHFFFAOYSA-N
XLogP1.81
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxan-4-amine?
The IUPAC name of 4-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxan-4-amine (CID 114355608) is 4-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxan-4-amine.
What is the SMILES notation for 4-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxan-4-amine?
The canonical SMILES for 4-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxan-4-amine is NC1(c2nn3c(C4CCCC4)nnc3s2)CCOCC1.
What is the InChIKey of 4-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxan-4-amine?
The InChIKey is TZRLCLYOZSOMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c14-13(5-7-19-8-6-13)11-17-18-10(9-3-1-2-4-9)15-16-12(18)20-11/h9H,1-8,14H2.
What are the key properties of 4-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxan-4-amine?
4-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxan-4-amine has a molecular weight of 293.40 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxan-4-amine is sourced from PubChem (CID 114355608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).